N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide

C12H22N4O — CID 55174159

IUPACN-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)N(C)C(C)CC#N)N1CCNCC1
InChIInChI=1S/C12H22N4O/c1-10(4-5-13)15(3)12(17)11(2)16-8-6-14-7-9-16/h10-11,14H,4,6-9H2,1-3H3
InChIKeyNFUPWDHNAGEYJF-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.04
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide

N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide (PubChem CID 55174159) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide
PubChem CID55174159
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)N(C)C(C)CC#N)N1CCNCC1
InChIInChI=1S/C12H22N4O/c1-10(4-5-13)15(3)12(17)11(2)16-8-6-14-7-9-16/h10-11,14H,4,6-9H2,1-3H3
InChIKeyNFUPWDHNAGEYJF-UHFFFAOYSA-N
XLogP0.04
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(4-methylpentan-2-yl)-2-piperazin-1-ylpropanamide
CID 55000406
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
N-butyl-N-methyl-2-piperazin-1-ylpropanamide
CID 43130649
N-cyclopropyl-N-ethyl-2-piperazin-1-ylpropanamide
CID 43264445
2-chloro-N-(1-cyanopropan-2-yl)-N-methylpropanamide
CID 63224261
N-ethyl-N-(2-methylpropyl)-2-piperazin-1-ylpropanamide
CID 43274010
2-bromo-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 63224173
methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate
CID 43130551
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 62979413
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide
CID 54995362
N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide
CID 63691474
N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide
CID 61442974

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide (CID 55174159) is N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide is CC(C(=O)N(C)C(C)CC#N)N1CCNCC1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is NFUPWDHNAGEYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(4-5-13)15(3)12(17)11(2)16-8-6-14-7-9-16/h10-11,14H,4,6-9H2,1-3H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide?
N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 55174159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).